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Target
Cytochrome P450 2C19
Ligand
BDBM50613916
Substrate
n/a
Meas. Tech.
ChEMBL_2294676
IC50
3600±n/a nM
Citation
 Kang, BN; Kang, HJ; Kim, S; Lee, J; Lee, J; Jeong, HJ; Jeon, S; Shin, Y; Yoon, C; Han, C; Seo, J; Yun, J Synthesis and biological evaluation of N-(3-fluorobenzyl)-4-(1-(methyl-d Bioorg Med Chem Lett 85:0 (2023) [PubMed] 
Target
Name:
Cytochrome P450 2C19
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C
Type:
Enzyme
Mol. Mass.:
55935.47
Organism:
Homo sapiens (Human)
Description:
P33261
Residue:
490
Sequence:
MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKIYGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFMESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYIDLIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFKKSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50613916
Synonyms:
CHEMBL5278659
Type:
Small organic molecule
Emp. Form.:
C23H18ClFN6
Mol. Mass.:
432.881
SMILES:
Cc1cccc(n1)-c1[nH]c(NCc2cccc(Cl)c2F)nc1-c1ccc2[nH]ncc2c1
Structure:
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